9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

C15H22N2O2 — CID 139648283

IUPAC9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESCOc1cccc(CN2C3COCC2CC(N)C3)c1
InChIInChI=1S/C15H22N2O2/c1-18-15-4-2-3-11(5-15)8-17-13-6-12(16)7-14(17)10-19-9-13/h2-5,12-14H,6-10,16H2,1H3
InChIKeyFLVJERPZALRBFJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.39
Rot. Bonds3

About 9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (PubChem CID 139648283) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.

Molecular Properties

Compound Name9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
PubChem CID139648283
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESCOc1cccc(CN2C3COCC2CC(N)C3)c1
InChIInChI=1S/C15H22N2O2/c1-18-15-4-2-3-11(5-15)8-17-13-6-12(16)7-14(17)10-19-9-13/h2-5,12-14H,6-10,16H2,1H3
InChIKeyFLVJERPZALRBFJ-UHFFFAOYSA-N
XLogP1.39
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
(1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 67845868
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
CID 154583235
8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 102877720
(1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
CID 121495039
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765538
3-[[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile
CID 67276098
(3S)-3-(cyclopropylmethoxy)-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418851

Frequently Asked Questions

What is the IUPAC name of 9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The IUPAC name of 9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (CID 139648283) is 9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.
What is the SMILES notation for 9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The canonical SMILES for 9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is COc1cccc(CN2C3COCC2CC(N)C3)c1.
What is the InChIKey of 9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The InChIKey is FLVJERPZALRBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-15-4-2-3-11(5-15)8-17-13-6-12(16)7-14(17)10-19-9-13/h2-5,12-14H,6-10,16H2,1H3.
What are the key properties of 9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine has a molecular weight of 262.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is sourced from PubChem (CID 139648283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).